6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine

C11H12Cl2N2O — CID 106795649

IUPAC6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine
SMILESC#CCCOc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-3-5-6-16-11-9(13)7-8(12)10(15-11)14-4-2/h1,7H,4-6H2,2H3,(H,14,15)
InChIKeyUBYXEWYCSJNZKW-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.22
Rot. Bonds5

About 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine

6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine (PubChem CID 106795649) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine
PubChem CID106795649
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine
SMILESC#CCCOc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-3-5-6-16-11-9(13)7-8(12)10(15-11)14-4-2/h1,7H,4-6H2,2H3,(H,14,15)
InChIKeyUBYXEWYCSJNZKW-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 102760377
6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine
CID 106669249
3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
CID 102761118
6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
CID 106795508
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 102760859
3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine
CID 102989506
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516

Frequently Asked Questions

What is the IUPAC name of 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine?
The IUPAC name of 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine (CID 106795649) is 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine?
The canonical SMILES for 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine is C#CCCOc1nc(NCC)c(Cl)cc1Cl.
What is the InChIKey of 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine?
The InChIKey is UBYXEWYCSJNZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-3-5-6-16-11-9(13)7-8(12)10(15-11)14-4-2/h1,7H,4-6H2,2H3,(H,14,15).
What are the key properties of 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine?
6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine has a molecular weight of 259.14 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine is sourced from PubChem (CID 106795649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).